1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C26H29N5OS MolecularWeight: 459.60636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C26H29N5OS/c1-18-24(21-13-7-8-14-22(21)27-18)25(32)19(2)33-26-29-28-23(17-30-15-9-4-10-16-30)31(26)20-11-5-3-6-12-20/h3,5-8,11-14,19,27H,4,9-10,15-17H2,1-2H3